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ZINC00934131,ASN 04479043, N-[(2-chlorophenyl)methyl]-N-[(4-fluorophen

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摘 要:ZINC00934131,ASN 04479043, N-[(2-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-4-,(tetrazol-1-yl)benzenesulfonamide,Canonical SMILES: CC1=C(C=CC(=C1)S(=O)(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CC=C3Cl)N4C=NN=N4,InChI: InChI=1/C22H19ClFN5O2S/c1-16-12
[Synonyms]
ZINC00934131
ASN 04479043

[Structure]
ZINC00934131,ASN 04479043, N-[(2-chlorophenyl)methyl]-N-[(4-fluorophen

[ Properties Computed from Structure]
Molecular Weight471.934963 [g/mol]
Molecular FormulaC22H19ClFN5O2S
XLogP4.1
H-Bond Donor0
H-Bond Acceptor8
Rotatable Bond Count7
Exact Mass471.093201
MonoIsotopic Mass471.093201
Topological Polar Surface Area81
Heavy Atom Count32
Formal Charge0
Complexity703
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-[(2-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-4-
(tetrazol-1-yl)benzenesulfonamide
Canonical SMILES: CC1=C(C=CC(=C1)S(=O)(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CC=C3Cl)N4C=NN=N4
InChI: InChI=1/C22H19ClFN5O2S/c1-16-12-20(10-11-22(16)29-15-25-26-27-29)32(30,
31)28(13-17-6-8-19(24)9-7-17)14-18-4-2-3-5-21(18)23/h2-12,15H,13-14H2,
1H3

 
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